%chk=000047628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047628

0 1
 O    6.689600     -0.8019000      0.5389000    
 O   -3.454400       2.653500      0.3110000    
 O   -4.871600      -2.714100     -0.1735000    
 O   -5.765500     -0.7273000      9.5799997E-02
 N    4.167000      0.1521000     -0.3709000    
 N   0.5167000      0.8887000     -0.1238000    
 N   -2.092600       2.430000      0.2020000    
 N   -4.178100       1.476000      0.2317000    
 N   -4.757400      -1.467200     -4.6200000E-02
 C    5.366800      0.9999000     -0.4039000    
 C    4.270400     -0.8244000      0.7224000    
 C    2.960900      0.9650000     -0.2283000    
 C    6.612300      0.1290000     -0.5412000    
 C    5.542100      -1.651900      0.5595000    
 C    1.719800      7.9200000E-02 -0.2841000    
 C  -0.7532000      0.3558000     -0.1016000    
 C   -1.949200       1.107200      5.2900001E-02
 C  -0.9937000      -1.037100     -0.2341000    
 C   -3.275000      0.5008000      7.1800001E-02
 C   -3.470400     -0.8860000     -6.2899999E-02
 C   -2.284700      -1.627500     -0.2156000    
 H    5.437600       1.594800      0.5160000    
 H    5.321500       1.691100      -1.253100    
 H    3.450800      -1.546800      0.7200000    
 H    4.285000     -0.3146000       1.694400    
 H    2.906500       1.694700      -1.046600    
 H    2.973900       1.538700      0.7083000    
 H    7.510000      0.7545000     -0.5061000    
 H    6.623600     -0.4140000      -1.494200    
 H    5.518300      -2.256200     -0.3556000    
 H    5.652500      -2.337600       1.405900    
 H    1.687500     -0.4559000      -1.240900    
 H    1.712900     -0.6483000      0.5308000    
 H   0.6102000       1.893400     -2.5100000E-02
 H  -0.1581000      -1.724900     -0.3614000    
 H   -2.331900      -2.710600     -0.3283000    


%chk=000047628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047628

0 1
O 6.923489 -0.661050 0.315783
O -3.285138 2.661737 0.835650
O -5.016110 -2.569704 -0.855336
O -5.896481 -0.565782 -0.176018
N 4.164962 0.110947 -0.156114
N 0.448008 0.697547 0.113609
N -1.908787 2.297564 0.687863
N -4.185951 1.560774 0.491613
N -4.897072 -1.340685 -0.451067
C 5.294334 0.903639 -0.714317
C 4.576542 -0.553266 1.110798
C 2.911253 0.878745 -0.033795
C 6.508669 -0.012914 -0.939091
C 5.804267 -1.444938 0.860473
C 1.684698 -0.052263 -0.150232
C -0.808963 0.174561 -0.030761
C -1.954061 1.013150 0.265900
C -1.098923 -1.143593 -0.455329
C -3.329949 0.553197 0.142724
C -3.555200 -0.795403 -0.296976
C -2.439092 -1.598400 -0.580470
H 5.590315 1.737909 -0.031222
H 4.983394 1.342501 -1.681021
H 3.747222 -1.177524 1.492260
H 4.826889 0.202610 1.896469
H 2.871528 1.620737 -0.853304
H 2.855334 1.451202 0.928794
H 7.384211 0.564680 -1.277563
H 6.254603 -0.786379 -1.695390
H 5.535204 -2.259276 0.153864
H 6.177570 -1.878512 1.802527
H 1.660842 -0.484291 -1.168608
H 1.774141 -0.895381 0.564332
H 0.521693 1.661036 0.452251
H -0.285037 -1.832829 -0.691883
H -2.638305 -2.622244 -0.912414


